UCSF

ZINC00234810

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.09 4.58 -16.58 3 6 0 83 347.802 6
Hi High (pH 8-9.5) 4.09 5.51 -59.72 2 6 -1 86 346.794 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )